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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:38 UTC
Update Date2025-03-21 18:04:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00049664
Frequency66.4
Structure
Chemical FormulaC16H22N2O3
Molecular Mass290.163
SMILESCC(C)(CO)C(O)C(=O)NCCc1c[nH]c2ccccc12
InChI KeyPSERRLCXTUJIQX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • indole
  • fatty amide
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound